BDBM50315761 1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}phenyl)-3-{4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-yl]phenyl}urea::CHEMBL1092401
SMILES: CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
InChI Key: InChIKey=QRQHRPXNUZROOQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315761 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315761
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C33H37F3N8O3/c1-41(2)26-11-14-43(15-12-26)31(45)23-5-9-25(10-6-23)38-32(46)37-24-7-3-22(4-8-24)28-39-29(42-17-19-47-20-18-42)27-13-16-44(30(27)40-28)21-33(34,35)36/h3-10,13,16,26H,11-12,14-15,17-21H2,1-2H3,(H2,37,38,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 3169-82 (2010)
Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315761
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C33H37F3N8O3/c1-41(2)26-11-14-43(15-12-26)31(45)23-5-9-25(10-6-23)38-32(46)37-24-7-3-22(4-8-24)28-39-29(42-17-19-47-20-18-42)27-13-16-44(30(27)40-28)21-33(34,35)36/h3-10,13,16,26H,11-12,14-15,17-21H2,1-2H3,(H2,37,38,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 3169-82 (2010)
Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP |
More data for this Ligand-Target Pair | |